[5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine

C11H11FN4OS — CID 80930521

IUPAC[5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCOc1ccc(Sc2nc(NN)ncc2F)cc1
InChIInChI=1S/C11H11FN4OS/c1-17-7-2-4-8(5-3-7)18-10-9(12)6-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyUQIMRDWMGZEWMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.06
Rot. Bonds4

About [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine

[5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80930521) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80930521
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name[5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCOc1ccc(Sc2nc(NN)ncc2F)cc1
InChIInChI=1S/C11H11FN4OS/c1-17-7-2-4-8(5-3-7)18-10-9(12)6-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyUQIMRDWMGZEWMI-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine (CID 80930521) is [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine is COc1ccc(Sc2nc(NN)ncc2F)cc1.
What is the InChIKey of [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is UQIMRDWMGZEWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-17-7-2-4-8(5-3-7)18-10-9(12)6-14-11(15-10)16-13/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine?
[5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80930521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).